1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine

C14H17N3S — CID 170894759

IUPAC1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCSc1ccc(-c2cccc(C(N)CN)n2)cc1
InChIInChI=1S/C14H17N3S/c1-18-11-7-5-10(6-8-11)13-3-2-4-14(17-13)12(16)9-15/h2-8,12H,9,15-16H2,1H3
InChIKeyWLXNKJRABIPTJE-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.43
Rot. Bonds4

About 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine

1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 170894759) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID170894759
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCSc1ccc(-c2cccc(C(N)CN)n2)cc1
InChIInChI=1S/C14H17N3S/c1-18-11-7-5-10(6-8-11)13-3-2-4-14(17-13)12(16)9-15/h2-8,12H,9,15-16H2,1H3
InChIKeyWLXNKJRABIPTJE-UHFFFAOYSA-N
XLogP2.43
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
CID 55291801
4-(4-methylsulfanylphenyl)-2,6-diphenylpyridine
CID 11078715
3-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]propan-1-amine
CID 116898098
1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]piperazine
CID 39818397
2-(difluoromethyl)-6-phenylpyridine
CID 151332992
[3-(4-methylsulfanylphenyl)-1H-pyrazol-5-yl]methanamine
CID 82472441
2-[4-methyl-6-(4-methylsulfanylphenyl)pyrimidin-2-yl]ethanamine
CID 82484222
4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837741
2-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 54176621
1-(4-methylsulfanylphenyl)-2-phenylethanamine
CID 79217379
2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435353
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine (CID 170894759) is 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine is CSc1ccc(-c2cccc(C(N)CN)n2)cc1.
What is the InChIKey of 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is WLXNKJRABIPTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-18-11-7-5-10(6-8-11)13-3-2-4-14(17-13)12(16)9-15/h2-8,12H,9,15-16H2,1H3.
What are the key properties of 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine?
1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 259.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methylsulfanylphenyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 170894759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).